tri(propan-2-yl)-[(1S)-1-[(4R,5S)-2,2,4-trimethyl-1,3-dioxan-5-yl]but-3-enoxy]silane

C20H40O3Si — CID 10689649

About tri(propan-2-yl)-[(1S)-1-[(4R,5S)-2,2,4-trimethyl-1,3-dioxan-5-yl]but-3-enoxy]silane

tri(propan-2-yl)-[(1S)-1-[(4R,5S)-2,2,4-trimethyl-1,3-dioxan-5-yl]but-3-enoxy]silane (PubChem CID 10689649) has the molecular formula C20H40O3Si and a molecular weight of 356.62 g/mol. Its IUPAC name is tri(propan-2-yl)-[(1S)-1-[(4R,5S)-2,2,4-trimethyl-1,3-dioxan-5-yl]but-3-enoxy]silane.

Molecular Properties

• Compound Name: tri(propan-2-yl)-[(1S)-1-[(4R,5S)-2,2,4-trimethyl-1,3-dioxan-5-yl]but-3-enoxy]silane
• PubChem CID: 10689649
• Molecular Formula: C20H40O3Si
• Molecular Weight: 356.62 g/mol
• Exact Mass: 356.27
• IUPAC Name: tri(propan-2-yl)-[(1S)-1-[(4R,5S)-2,2,4-trimethyl-1,3-dioxan-5-yl]but-3-enoxy]silane
• SMILES: C=CC[C@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@H]1COC(C)(C)O[C@@H]1C
• InChI: InChI=1S/C20H40O3Si/c1-11-12-19(18-13-21-20(9,10)22-17(18)8)23-24(14(2)3,15(4)5)16(6)7/h11,14-19H,1,12-13H2,2-10H3/t17-,18+,19+/m1/s1
• InChIKey: OYHBDTLKMFFMCX-QYZOEREBSA-N
• XLogP: 5.91
• TPSA: 27.69 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	356.62
LogP ≤ 5	5.91
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tri(propan-2-yl)-[(1S)-1-[(4R,5S)-2,2,4-trimethyl-1,3-dioxan-5-yl]but-3-enoxy]silane?

The IUPAC name of tri(propan-2-yl)-[(1S)-1-[(4R,5S)-2,2,4-trimethyl-1,3-dioxan-5-yl]but-3-enoxy]silane (CID 10689649) is tri(propan-2-yl)-[(1S)-1-[(4R,5S)-2,2,4-trimethyl-1,3-dioxan-5-yl]but-3-enoxy]silane.

What is the SMILES notation for tri(propan-2-yl)-[(1S)-1-[(4R,5S)-2,2,4-trimethyl-1,3-dioxan-5-yl]but-3-enoxy]silane?

The canonical SMILES for tri(propan-2-yl)-[(1S)-1-[(4R,5S)-2,2,4-trimethyl-1,3-dioxan-5-yl]but-3-enoxy]silane is C=CC[C@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@H]1COC(C)(C)O[C@@H]1C.

What is the InChIKey of tri(propan-2-yl)-[(1S)-1-[(4R,5S)-2,2,4-trimethyl-1,3-dioxan-5-yl]but-3-enoxy]silane?

The InChIKey is OYHBDTLKMFFMCX-QYZOEREBSA-N. The full InChI is InChI=1S/C20H40O3Si/c1-11-12-19(18-13-21-20(9,10)22-17(18)8)23-24(14(2)3,15(4)5)16(6)7/h11,14-19H,1,12-13H2,2-10H3/t17-,18+,19+/m1/s1.

What are the key properties of tri(propan-2-yl)-[(1S)-1-[(4R,5S)-2,2,4-trimethyl-1,3-dioxan-5-yl]but-3-enoxy]silane?

tri(propan-2-yl)-[(1S)-1-[(4R,5S)-2,2,4-trimethyl-1,3-dioxan-5-yl]but-3-enoxy]silane has a molecular weight of 356.62 g/mol, XLogP of 5.91, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for tri(propan-2-yl)-[(1S)-1-[(4R,5S)-2,2,4-trimethyl-1,3-dioxan-5-yl]but-3-enoxy]silane is sourced from PubChem (CID 10689649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).